N-[(1R,9S)-11-(3-Methoxypropanoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-2-thiophenecarboxamide
13173
Reference
N-[(1R,9S)-11-(3-Methoxypropanoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-2-thiophenecarboxamide Structure
Systematic / IUPAC Name: N-[(1R,9S)-11-(3-Methoxypropanoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]thiophene-2-carboxamide
ID: Reference13173
Other Names: NAT11-275091
Formula: C20H23N3O4S
Spectral Data
N-[(1R,9S)-11-(3-Methoxypropanoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-2-thiophenecarboxamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
| No. of Spectral Trees | 2 |
| No. of Spectra | 4190 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 6/6/2024 9:12:22 AM |
Identificators
| InChI | InChI=1S/C20H23N3O4S/c1-27-7-6-18(24)22-10-13-9-14(12-22)16-5-4-15(20(26)23(16)11-13)21-19(25)17-3-2-8-28-17/h2-5,8,13-14H,6-7,9-12H2,1H3,(H,21,25)/t13-,14+/m0/s1 |
| InChI Key | UNWJRVLILCGGHJ-UONOGXRCSA-N |
| Canonical SMILES | COCCC(=O)N1CC2CC(C1)C3=CC=C(C(=O)N3C2)NC(=O)C4=CC=CS4 |
| CAS | |
| Splash | |
| Other Names | NAT11-275091 |